Geometry & MOs

Info

ID:	110286
PubChem CID:	50318863
Reduced:	ClO4N5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	545.243833
ΔH_f, kcal/mol:	-148.84
Dipole, Da:	7.33
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)C(=O)N

DOS

IR

Vibrations